SCHEMBL28115561

SCHEMBL28115561

COc1c(I)ccc2c1C(=O)c1ccc(I)c(OC)c1C2=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
NPC1 O15118 3/20 0.55
MAPT P10636 9/20 0.41
ALDH1A1 P00352 7/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
KDM4E B2RXH2 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
USP2 O75604 1/20 0.41
DUSP3 P51452 1/20 0.41
EPHX2 P34913 1/20 0.41
THRB P10828 3/20 0.38
LCK P06239 1/20 0.38
GLA P06280 1/20 0.38
LIMK1 P53667 1/20 0.38
LIMK2 P53671 1/20 0.38
USP8 P40818 1/20 0.37
USP7 Q93009 1/20 0.37
EGFR P00533 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL881613 0.75 ALDH1A1 (0.43) SMN1; SMN2MAPTALDH1A1KDM4ETDP1
SCHEMBL31013129 0.75 ALDH1A1 (0.43) SMN1; SMN2MAPTALDH1A1KDM4ETDP1
SCHEMBL17717539 0.75 PREP (0.35) RAB9ASMN1; SMN2NPC1
SCHEMBL4312601 0.72 TPMT (0.32) RAB9ASMN1; SMN2NPC1MCL1
SCHEMBL8155703 0.72 RAB9A (0.49) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL3419749 0.71 SMN1; SMN2 (0.70) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL496978 0.71 RAB9A (1.00) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL29906115 0.71 SMN1; SMN2 (0.70) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL1426442 0.71 SMN1; SMN2 (0.70) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL19462002 0.70 MAOA (0.66) RAB9ASMN1; SMN2NPC1MAPTALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106366689-A Liquid crystal property anthraquinone type bidirectional dye, film containing liquid crystal property anthraquinone type bidirectional dye, and display device containing liquid crystal property anthraquinone type bidirectional dye 北京大学 2017-02-01 CN disclosed